Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.65 |
| ▸ | KCNJ1 | P48048 | 9/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5905840 | 0.81 | KMT2A (0.70) | KMT2ACYP19A1KCNJ1KCNH2TSHR | |
| SCHEMBL10554541 | 0.81 | SIGMAR1 (0.57) | KMT2ACYP19A1KCNJ1KCNH2TSHR | |
| SCHEMBL9663626 | 0.79 | CYP19A1 (1.00) | KMT2ACYP19A1KCNJ1KCNH2HRH3 | |
| SCHEMBL4829103 | 0.79 | CYP19A1 (0.57) | KMT2ACYP19A1KCNJ1KCNH2HRH3 | |
| SCHEMBL3292782 | 0.78 | TSHR (0.75) | KCNJ1KCNH2HRH3TSHRPOLB | |
| Hydrochloric Acid SCHEMBL9663915 | 0.78 | CYP19A1 (0.97) | KMT2ACYP19A1KCNJ1KCNH2HRH3 | |
| SCHEMBL2731306 | 0.76 | KCNJ1 (1.00) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| SCHEMBL13946243 | 0.75 | CYP1A2 (0.67) | KMT2AKCNJ1KCNH2TSHRSIGMAR1 | |
| SCHEMBL6645239 | 0.75 | LTA4H (0.57) | KCNH2HRH3 | |
| SCHEMBL30758863 | 0.74 | TSHR (0.69) | KCNJ1KCNH2HRH3TSHRSIGMAR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103012238-A | Preparation method of N-substituted-1H-pyrrole | UNIV EAST CHINA SCIENCE & TECH | 2013-04-03 | — | — | CN | disclosed |